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| Targets |
C188 targets the signal transducer and activator of transcription 3 (STAT3). Specifically, it binds to the STAT3 SH2 domain, which is the region responsible for recognizing phosphorylated tyrosine residues on receptor complexes. By binding to this pocket, C188 disrupts STAT3 SH2/pY-peptide binding and inhibits IL-6-mediated STAT3 phosphorylation. This prevents STAT3 from dimerizing, translocating to the nucleus, and activating the transcription of target genes.
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| ln Vitro |
In vitro, C188 is a potent and selective STAT3 inhibitor. It inhibits IL-6-stimulated STAT3 Tyr705 phosphorylation with an IC50 of 73 µM and nuclear translocation with an IC50 of 39 µM in HepG2 cells. It has an IC50 of 20 µM for disrupting STAT3 SH2/pY-peptide binding. It exhibits little effect against IFN-γ-stimulated STAT1 phosphorylation, demonstrating its selectivity for STAT3 over STAT1.
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| ln Vivo |
C188 is a research tool and is not a therapeutic agent. Its in vivo effects are related to its ability to inhibit STAT3 signaling. By blocking STAT3, it can modulate various cellular processes, including cell proliferation, survival, and inflammation. Its effects in animal models would be attributed to the inhibition of STAT3-mediated gene expression.
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| Enzyme Assay |
The in vitro activity of C188 against STAT3 is determined using biochemical and cellular assays. In a cell-free assay, the STAT3 SH2 domain is incubated with a fluorescently labeled phosphopeptide and varying concentrations of C188. The displacement of the peptide is measured, and the IC50 is calculated. This assay directly measures the compound's ability to bind to the STAT3 SH2 domain.
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| Cell Assay |
Cellular assays for C188 involve studying its effect on STAT3 signaling in cells. In a typical protocol, cells (e.g., HepG2) are stimulated with IL-6 to activate STAT3. The cells are pretreated with C188, and the levels of phosphorylated STAT3 (Tyr705) are measured by Western blot or ELISA. The compound's ability to inhibit STAT3 phosphorylation and nuclear translocation is assessed.
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| Animal Protocol |
The in vivo efficacy of C188 can be evaluated in animal models of cancer or inflammatory diseases. In a typical protocol, the compound is administered to tumor-bearing mice via intraperitoneal or oral administration. Tumor growth is monitored, and at the end of the study, tumors are analyzed for STAT3 phosphorylation and downstream target gene expression. The compound's ability to inhibit tumor growth is a measure of its in vivo activity.
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| ADME/Pharmacokinetics |
C188 is a small molecule with a molecular weight of 370.19 and a molecular formula of C₂₀H₁₈N₂O₅. It is typically supplied as a powder for research use. Its solubility is enhanced in DMSO. As a research chemical, detailed pharmacokinetic data are not typically reported, as its primary use is in preclinical studies to probe STAT3 function.
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| Toxicity/Toxicokinetics |
C188 is a research tool and is not a therapeutic agent. Its toxicity profile is not extensively documented. Standard safety precautions should be taken when handling the compound. At concentrations used in in vitro assays, it is not considered highly toxic. For in vivo studies, the dose would be carefully selected to avoid systemic toxicity while achieving sufficient target inhibition.
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| References | |
| Additional Infomation |
STAT3 inhibitors
C188 is a cell-permeable, selective STAT3 inhibitor that targets the STAT3 SH2 domain. It inhibits IL-6-stimulated STAT3 phosphorylation and nuclear translocation. It is a research tool used to study the role of STAT3 in cancer, inflammation, and other diseases. It is not an approved drug and has no clinical applications, but it is a valuable compound for investigating STAT3 signaling pathways. |
| Molecular Formula |
C19H15NO7S2
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|---|---|
| Molecular Weight |
433.454902887344
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| Exact Mass |
433.029
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| CAS # |
823828-18-8
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| PubChem CID |
1652812
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
3
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
29
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| Complexity |
700
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C=CC(C(=O)O)=CC=1)(NC1=CC(=C(C2C=CC=CC1=2)O)SCC(=O)O)(=O)=O
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| InChi Key |
CIERPRDYPKVDJO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
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| Chemical Name |
4-[[3-(carboxymethylsulfanyl)-4-hydroxynaphthalen-1-yl]sulfamoyl]benzoic acid
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| Synonyms |
C 188; C-188; C188
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~230.7 mM; with ultrasonication and warming)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.77 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.77 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3071 mL | 11.5354 mL | 23.0707 mL | |
| 5 mM | 0.4614 mL | 2.3071 mL | 4.6141 mL | |
| 10 mM | 0.2307 mL | 1.1535 mL | 2.3071 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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